N-(3,4-dimethoxyphenyl)ethanethioamide
TL;DR: N-(3,4-dimethoxyphenyl)ethanethioamide (CAS 107963-01-9) is a chemical compound with molecular formula C10H13NO2S and molecular weight 211.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethoxyphenyl)ethanethioamide
Also Known As: N-(3,4-dimethoxyphenyl)ethanethioamide, N-(3,4-Dimethoxyphenyl)thioacetamide, Ethanethioamide,N-(3,4-dimethoxyphenyl)-, T0400-4034
| Molecular Formula | C10H13NO2S |
|---|---|
| Molecular Weight | 211.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.0667 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 107963-01-9 |
|---|---|
| SMILES | CC(=S)NC1=CC(=C(C=C1)OC)OC |
| InChIKey | JSJSVAPQEXRAPS-UHFFFAOYSA-N |
Product Overview
N-(3,4-dimethoxyphenyl)ethanethioamide (CAS 107963-01-9), with molecular formula C10H13NO2S and molecular weight 211.07 g/mol. IUPAC: N-(3,4-dimethoxyphenyl)ethanethioamide.
Chemical Property Profile of N-(3,4-dimethoxyphenyl)ethanethioamide
Property Insights of N-(3,4-dimethoxyphenyl)ethanethioamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-dimethoxyphenyl)ethanethioamide. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dimethoxyphenyl)ethanethioamide. Following Lipinski's Rule of Five, N-(3,4-dimethoxyphenyl)ethanethioamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3,4-dimethoxyphenyl)ethanethioamide?
The CAS number of N-(3,4-dimethoxyphenyl)ethanethioamide is 107963-01-9.
What is the molecular formula of N-(3,4-dimethoxyphenyl)ethanethioamide?
The molecular formula of N-(3,4-dimethoxyphenyl)ethanethioamide is C10H13NO2S.
What is the molecular weight of N-(3,4-dimethoxyphenyl)ethanethioamide?
The molecular weight of N-(3,4-dimethoxyphenyl)ethanethioamide is 211.07 g/mol.
Where can I buy N-(3,4-dimethoxyphenyl)ethanethioamide?
You can request a quote for N-(3,4-dimethoxyphenyl)ethanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethoxyphenyl)ethanethioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethoxyphenyl)ethanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.